SCHEMBL12068698

SCHEMBL12068698

CCC(C)Oc1cc(C(=O)Nc2ccc(C(N)=O)cc2OCC(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)CC)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MYC P01106 7/20 0.68
MAX P61244 6/20 0.68
EP300 Q09472 3/20 0.68
HIF1A Q16665 1/20 0.68
AR P10275 1/20 0.67
PELP1 Q8IZL8 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MAPT P10636 1/20 0.42
TOP2A P11388 1/20 0.41
LMNA P02545 1/20 0.41
ABCB1 P08183 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12068659 0.99 MYC (0.69) MYCMAXEP300HIF1AAR
SCHEMBL12068700 0.99 MYC (0.69) MYCMAXEP300HIF1AAR
SCHEMBL12068665 0.98 MYC (0.71) MYCMAXEP300HIF1AAR
SCHEMBL12068655 0.97 EP300 (0.73) MYCMAXEP300HIF1AAR
SCHEMBL12068719 0.97 MYC (0.69) MYCMAXEP300HIF1AAR
SCHEMBL12068691 0.92 EP300 (0.81) MYCMAXEP300HIF1AAR
SCHEMBL12068654 0.91 EP300 (0.62) MYCMAXEP300HIF1AAR
SCHEMBL12068656 0.91 EP300 (0.79) MYCMAXEP300HIF1AAR
SCHEMBL12068723 0.91 EP300 (0.62) MYCMAXEP300HIF1AAR
SCHEMBL12068664 0.91 EP300 (0.79) MYCMAXEP300HIF1AAR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856206-B2 Oligo-benzamide compounds and their use THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-01-02 US disclosed
US-20160130217-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-12 US disclosed
US-20160130217-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-12 US disclosed
US-20130231385-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEMS (US) 2013-09-05 US disclosed
US-20130231385-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEMS (US) 2013-09-05 US disclosed
WO-2011150360-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-12-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160130217-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE AR, OGFR, BRDT MYC 23/4885MAX 4203/4885EP300 509/4885
US-20130231385-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE AR, OGFR, BRDT MYC 23/4885MAX 4203/4885EP300 509/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.